2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol

C11H20N2O — CID 116680439

IUPAC2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC(C)=C1CNC1
InChIInChI=1S/C11H20N2O/c1-3-4-13(5-6-14)9-10(2)11-7-12-8-11/h3,12,14H,1,4-9H2,2H3
InChIKeyUQDPEHHWVMKQQR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.39
Rot. Bonds6

About 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol

2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol (PubChem CID 116680439) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol
PubChem CID116680439
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC(C)=C1CNC1
InChIInChI=1S/C11H20N2O/c1-3-4-13(5-6-14)9-10(2)11-7-12-8-11/h3,12,14H,1,4-9H2,2H3
InChIKeyUQDPEHHWVMKQQR-UHFFFAOYSA-N
XLogP0.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol (CID 116680439) is 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol is C=CCN(CCO)CC(C)=C1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol?
The InChIKey is UQDPEHHWVMKQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-13(5-6-14)9-10(2)11-7-12-8-11/h3,12,14H,1,4-9H2,2H3.
What are the key properties of 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol?
2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol has a molecular weight of 196.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 116680439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).